2W1B
The structure of the efflux pump AcrB in complex with bile acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-10 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 145.490, 145.490, 515.181 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 3.850 |
| R-factor | 0.28141 |
| Rwork | 0.278 |
| R-free | 0.34919 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.392 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.450 | 4.020 |
| High resolution limit [Å] | 3.850 | 3.850 |
| Rmerge | 0.230 | 0.560 |
| Number of reflections | 19539 | |
| <I/σ(I)> | 2.5 | 1.3 |
| Completeness [%] | 96.4 | 96.2 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10% PEG 4000, 0.1 M HEPES PH 7.5, 0.1 M AMMONIUM SULPHATE AND 22% V/V GLYCEROL |
